ethyl 4-[[(4-methoxyphenyl)methyl-(3-nitrophenyl)sulfonyl-amino]methyl]cyclohexane-1-carboxylate

Systemtic Name: ethyl 4-[[(4-methoxyphenyl)methyl-(3-nitrophenyl)sulfonyl-amino]methyl]cyclohexane-1-carboxylate Openeye Name: ethyl 4-[[(4-methoxyphenyl)methyl-(3-nitrophenyl)sulfonyl-amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[(4-methoxyphenyl)methyl-(3-nitrophenyl)sulfonylamino]methyl]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(4-methoxyphenyl)methyl-(3-nitrophenyl)sulfonylamino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[(3-nitrophenyl)sulfonyl-p-anisyl-amino]methyl]cyclohexanecarboxylic acid ethyl ester Formula: C24H30N2O7S MolecularWeight: 490.5692

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC(CC1)CN(CC2=CC=C(C=C2)OC)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCC(CC1)CN(CC2=CC=C(C=C2)OC)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H30N2O7S/c1-3-33-24(27)20-11-7-18(8-12-20)16-25(17-19-9-13-22(32-2)14-10-19)34(30,31)23-6-4-5-21(15-23)26(28)29/h4-6,9-10,13-15,18,20H,3,7-8,11-12,16-17H2,1-2H3